![2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate structure](/static/products/3030/303090-95-1.webp)
2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate
TL;DR: 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate (CAS 303090-95-1) is a chemical compound with molecular formula C22H14F3NO4 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate
Also Known As: AA-768/34977014, 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate, 2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl 3-(trifluoromethyl)benzoate, 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 3-(trifluoromethyl)benzoate, 2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 3-(trifluoromethyl)benzenecarboxylate
| Molecular Formula | C22H14F3NO4 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 4.3116 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0875 |
| Heavy Atoms | 30 |
| Complexity | 1135.7113 |
Chemical Identifiers
| CAS Number | 303090-95-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCOC(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate (CAS 303090-95-1), with molecular formula C22H14F3NO4 and molecular weight 413.09 g/mol. IUPAC: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate
Property Insights of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate
The XLogP value of 4.3116 indicates that 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate?
The CAS number of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate is 303090-95-1.
What is the molecular formula of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate?
The molecular formula of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate is C22H14F3NO4.
What is the molecular weight of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate?
The molecular weight of 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate is 413.09 g/mol.
Where can I buy 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate?
You can request a quote for 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl 3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.